N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide

C28H27F3N4O3 — CID 175010397

IUPACN,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide
SMILESCN(C)C(=O)c1cc(N2CCCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)ccc1-c1ccccc1
InChIInChI=1S/C28H27F3N4O3/c1-34(2)25(36)23-17-21(14-15-22(23)18-7-4-3-5-8-18)35-16-6-9-24(26(35)37)33-27(38)32-20-12-10-19(11-13-20)28(29,30)31/h3-5,7-8,10-15,17,24H,6,9,16H2,1-2H3,(H2,32,33,38)
InChIKeyMDFQWLVPCBRKIN-UHFFFAOYSA-N
MW524.54 g/mol
LogP5.39
Rot. Bonds5

About N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide

N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide (PubChem CID 175010397) has the molecular formula C28H27F3N4O3 and a molecular weight of 524.54 g/mol. Its IUPAC name is N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide
PubChem CID175010397
Molecular FormulaC28H27F3N4O3
Molecular Weight524.54 g/mol
Exact Mass524.20
IUPAC NameN,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide
SMILESCN(C)C(=O)c1cc(N2CCCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)ccc1-c1ccccc1
InChIInChI=1S/C28H27F3N4O3/c1-34(2)25(36)23-17-21(14-15-22(23)18-7-4-3-5-8-18)35-16-6-9-24(26(35)37)33-27(38)32-20-12-10-19(11-13-20)28(29,30)31/h3-5,7-8,10-15,17,24H,6,9,16H2,1-2H3,(H2,32,33,38)
InChIKeyMDFQWLVPCBRKIN-UHFFFAOYSA-N
XLogP5.39
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide?
The IUPAC name of N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide (CID 175010397) is N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide.
What is the SMILES notation for N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide?
The canonical SMILES for N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide is CN(C)C(=O)c1cc(N2CCCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)C2=O)ccc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide?
The InChIKey is MDFQWLVPCBRKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O3/c1-34(2)25(36)23-17-21(14-15-22(23)18-7-4-3-5-8-18)35-16-6-9-24(26(35)37)33-27(38)32-20-12-10-19(11-13-20)28(29,30)31/h3-5,7-8,10-15,17,24H,6,9,16H2,1-2H3,(H2,32,33,38).
What are the key properties of N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide?
N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide has a molecular weight of 524.54 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[2-oxo-3-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-2-phenylbenzamide is sourced from PubChem (CID 175010397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).